BindingDB logo
myBDB logout

BDBM39553 3-(2-amino-4,5-dimethyl-anilino)-5,5-dimethyl-cyclohex-2-en-1-one::3-(2-amino-4,5-dimethylanilino)-5,5-dimethyl-1-cyclohex-2-enone::3-(2-amino-4,5-dimethylanilino)-5,5-dimethylcyclohex-2-en-1-one::3-[(2-amino-4,5-dimethylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one::3-[(2-azanyl-4,5-dimethyl-phenyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one::MLS000043011::SMR000019438::cid_3242790

SMILES: Cc1cc(N)c(NC2=CC(=O)CC(C)(C)C2)cc1C

InChI Key: InChIKey=YMFIYBFATICNAE-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 39553   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39553
PNG
(3-(2-amino-4,5-dimethyl-anilino)-5,5-dimethyl-cycl...)
Show SMILES Cc1cc(N)c(NC2=CC(=O)CC(C)(C)C2)cc1C
Show InChI InChI=1S/C16H22N2O/c1-10-5-14(17)15(6-11(10)2)18-12-7-13(19)9-16(3,4)8-12/h5-7,18H,8-9,17H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39553
PNG
(3-(2-amino-4,5-dimethyl-anilino)-5,5-dimethyl-cycl...)
Show SMILES Cc1cc(N)c(NC2=CC(=O)CC(C)(C)C2)cc1C
Show InChI InChI=1S/C16H22N2O/c1-10-5-14(17)15(6-11(10)2)18-12-7-13(19)9-16(3,4)8-12/h5-7,18H,8-9,17H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2028PXQ
More data for this
Ligand-Target Pair